KEGG   DRUG: MetacresolHelp
Entry
D04951                      Drug                                   

Name
Metacresol (USP);
m-Cresol
Formula
C7H8O
Exact mass
108.0575
Mol weight
108.1378
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C01467
Efficacy
Antifungal, Antiseptic (topical)
Brite
Pharmaceutical additives in Japan [BR:br08316]
 Antiseptic agent
  D04951  [103907] m-Cresol
 Preserving agent
  D04951  [103907] m-Cresol
BRITE hierarchy
Other DBs
CAS: 108-39-4
PubChem: 47206697
ChEBI: 17231
ChEMBL: CHEMBL298312
DrugBank: DB01776
PDB-CCD: CRS[PDBj]
LigandBox: D04951
NIKKAJI: J1.186J
KCF data Show

ATOM        8
            1   C8x C    26.3250  -18.9989
            2   C8y C    26.3250  -20.4065
            3   C8y C    25.1028  -18.3013
            4   C8x C    25.1028  -21.1169
            5   C1a C    27.5280  -21.0976
            6   C8x C    23.8997  -18.9989
            7   O1a O    25.0963  -16.9129
            8   C8x C    23.8997  -20.4065
BOND        8
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 2
            8     6   8 1

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